4-chloranylbenzenesulfonate; diphenyl-(2,4,6-trimethylphenyl)sulfanium

Systemtic Name: 4-chloranylbenzenesulfonate; diphenyl-(2,4,6-trimethylphenyl)sulfanium Openeye Name: 4-chlorobenzenesulfonate; diphenyl-(2,4,6-trimethylphenyl)sulfonium CAS Name: 4-chlorobenzenesulfonate; diphenyl-(2,4,6-trimethylphenyl)sulfonium IUPAC Name: 4-chlorobenzenesulfonate; diphenyl-(2,4,6-trimethylphenyl)sulfanium Traditional Name: 4-chlorobesylate; mesityl(diphenyl)sulfonium Formula: C27H25ClO3S2 MolecularWeight: 497.0686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)[S+](C2=CC=CC=C2)C3=CC=CC=C3)C.C1=CC(=CC=C1S(=O)(=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)C)[S+](C2=CC=CC=C2)C3=CC=CC=C3)C.C1=CC(=CC=C1S(=O)(=O)[O-])Cl

InChI

InChI=1S/C21H21S.C6H5ClO3S/c1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;7-5-1-3-6(4-2-5)11(8,9)10/h4-15H,1-3H3;1-4H,(H,8,9,10)/q+1;/p-1